SCHEMBL3588041

SCHEMBL3588041

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)CN4CCN(c5ccccc5)C4=O)CC3)cs2)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.38
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CPT1A P50416 6/20 0.36
CPT2 P23786 3/20 0.36
SCN9A Q15858 6/20 0.36
SCN10A Q9Y5Y9 4/20 0.36
CPT1B Q92523 3/20 0.35
ROS1 P08922 2/20 0.35
ALK Q9UM73 2/20 0.35
PIN1 Q13526 1/20 0.34
CCR5 P51681 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3580754 0.87 GABRA1 (0.34) CPT1ACPT2SCN9ACPT1BPIN1
SCHEMBL13031207 0.85 SCN9A (0.38) ADORA2AADORA1SCN9ASCN10AROS1
SCHEMBL3579069 0.83 GABRA1 (0.34) CPT1ACPT2CPT1B
SCHEMBL3589661 0.82 TLR8 (0.40) CPT1ACPT2
SCHEMBL3586267 0.81 CXCR3 (0.42)
SCHEMBL3593480 0.80 CPT1A (0.35) CPT1ACPT2CPT1B
SCHEMBL3578439 0.80 CXCR3 (0.40) CPT1ACPT2
SCHEMBL3587157 0.80 CXCR3 (0.41)
SCHEMBL3589593 0.79 LMNA (0.40) CPT1ACPT2
SCHEMBL3592264 0.79 CPT1A (0.33) CPT1ACPT2CPT1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US claimed
EP-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP claimed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO claimed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
EP-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 USP30 3821/4885ADORA2A 72/4885ADORA1 157/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.